2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-(3-methylbutyl)-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine

C17H32N6O3 — CID 23758515

IUPAC2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-(3-methylbutyl)-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine
SMILESC=CCOc1nc(NCCOCCOCCN)nc(NCCC(C)C)n1
InChIInChI=1S/C17H32N6O3/c1-4-9-26-17-22-15(19-7-5-14(2)3)21-16(23-17)20-8-11-25-13-12-24-10-6-18/h4,14H,1,5-13,18H2,2-3H3,(H2,19,20,21,22,23)
InChIKeyFFDVGJOEEKIJAA-UHFFFAOYSA-N
MW368.48 g/mol
LogP1.30
Rot. Bonds16

About 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-(3-methylbutyl)-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine

2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-(3-methylbutyl)-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine (PubChem CID 23758515) has the molecular formula C17H32N6O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-(3-methylbutyl)-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-(3-methylbutyl)-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine
PubChem CID23758515
Molecular FormulaC17H32N6O3
Molecular Weight368.48 g/mol
Exact Mass368.25
IUPAC Name2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-(3-methylbutyl)-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine
SMILESC=CCOc1nc(NCCOCCOCCN)nc(NCCC(C)C)n1
InChIInChI=1S/C17H32N6O3/c1-4-9-26-17-22-15(19-7-5-14(2)3)21-16(23-17)20-8-11-25-13-12-24-10-6-18/h4,14H,1,5-13,18H2,2-3H3,(H2,19,20,21,22,23)
InChIKeyFFDVGJOEEKIJAA-UHFFFAOYSA-N
XLogP1.30
TPSA116.44 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4,6-Bis(allyloxy)-N-butyl-1,3,5-triazin-2-amine
CID 104663
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-2-N-methyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine
CID 23758516
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(cyclohexylmethyl)-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine
CID 23816527
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclopentyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine
CID 23816528
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(4-methylcyclohexyl)-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine
CID 23901106
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 23901108
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclobutyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine
CID 23929100
2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-butoxy-4-N-(3-methylbutyl)-1,3,5-triazine-2,4-diamine
CID 23929117
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-butyl-2-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine
CID 23956875
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine
CID 23956925
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-propan-2-yl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine
CID 23956927
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-piperidin-1-yl-6-prop-2-enoxy-1,3,5-triazin-2-amine
CID 23956929

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-(3-methylbutyl)-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-(3-methylbutyl)-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine (CID 23758515) is 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-(3-methylbutyl)-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-(3-methylbutyl)-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-(3-methylbutyl)-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine is C=CCOc1nc(NCCOCCOCCN)nc(NCCC(C)C)n1.
What is the InChIKey of 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-(3-methylbutyl)-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is FFDVGJOEEKIJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N6O3/c1-4-9-26-17-22-15(19-7-5-14(2)3)21-16(23-17)20-8-11-25-13-12-24-10-6-18/h4,14H,1,5-13,18H2,2-3H3,(H2,19,20,21,22,23).
What are the key properties of 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-(3-methylbutyl)-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine?
2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-(3-methylbutyl)-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 368.48 g/mol, XLogP of 1.30, 16 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-(3-methylbutyl)-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 23758515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).